metabolite_name A_1 A_2 A_3 A_4 A_5 A_6 A_7 A_8 A_9 A_10 A_11 A_12 A_13 A_14 A_15 A_16 A_17 A_18 A_19 A_20 A_21 A_22 A_23 A_24 A_25 A_26 A_27 A_28 A_29 A_30 A_31 A_32 A_33 A_34 A_35 A_36 A_37 A_38 A_39 A_40 A_41 A_42 A_43 A_44 A_45 A_46 A_47 A_48 A_49 A_50 A_51 A_52 A_53 A_54 A_55 A_56 A_57 A_58 A_59 A_60 A_61 A_62 A_63 A_64 A_65 A_66 A_67 A_68 A_69 A_70 A_71 A_72 A_73 A_74 A_75 A_76 A_77 A_78 A_79 A_80 A_81 A_82 A_83 A_84 A_85 A_86 A_87 A_88 A_89 A_90 A_91 A_92 A_93 A_94 A_95 A_96 A_97 A_98 A_99 A_100 A_101 A_102 A_103 A_104 A_105 A_106 A_107 A_108 A_109 A_110 A_111 A_112 A_113 A_114 A_115 A_116 A_117 A_118 A_119 A_120 A_121 A_122 A_123 A_124 A_125 A_126 A_127 A_128 A_129 A_130 A_131 A_132 A_133 A_134 A_135 A_136 A_137 A_138 A_139 A_140 A_141 A_142 A_143 A_144 A_145 A_146 A_147 A_148 A_149 A_150 A_151 A_152 A_153 A_154 A_155 A_156 A_157 A_158 A_159 A_160 A_161 A_162 A_163 A_164 A_165 A_166 A_167 A_168 A_169 A_170 A_171 A_172 A_173 A_174 A_175 A_176 A_177 A_178 A_179 A_180 A_181 A_182 A_183 A_184 A_185 A_186 A_187 A_188 A_189 A_190 A_191 A_192 A_193 A_194 A_195 A_196 A_197 A_198 A_199 A_200 A_201 A_202 A_203 A_204 A_205 A_206 A_207 A_208 A_209 A_210 A_211 A_212 A_213 A_214 A_215 A_216 A_217 A_218 A_219 A_220 A_221 A_222 A_223 A_224 A_225 A_226 A_227 A_228 A_229 A_230 Citrate 103779.46 134138.595 97013.498 119737.098 171638.421 116118.274 121206.178 179607.639 115352.659 92804.666 37314.042 365479.238 321661.602 352669.436 236464.174 72598.089 104294.05 195713.833 74939.157 85007.923 97692.584 75023.349 57007.273 70458.807 122011.922 146505.831 157775.091 474828.224 106168.159 49056.367 153946.935 196397.006 126839.169 122946.836 74131.941 43106.659 58938.603 75076.394 28047.68 21150.211 37774.265 155311.709 63591.126 76853.18 14281.018 44080.342 14825.499 43948.056 382118.548 35169.733 189152.703 95648.869 84020.664 82066.356 88195.546 141337.572 120076.186 97792.458 208921.939 83072.937 5469.24 62047.516 178212.348 74593.499 77754.6 143146.7 153117.275 155926.341 73580.256 45361.644 144186.66 199094.725 215264.674 245446.206 436567.738 208157.244 223862.38 764464.404 1469886.402 812209.453 231310.784 1594787.481 311037.674 609294.304 404318.856 252404.359 150551.066 180740.97 238399.253 150692.167 3570886.386 4004123.673 199560.279 2707786.002 300826.512 169213.442 61033.413 2846765.927 126153.549 31392.397 87466.583 50862.389 65789.775 328903.429 604606.024 1695.936 792938.655 186275.9 133772.449 303875.801 120095.466 2212000.85 196580.277 2990797.289 146267.79 30402.41 3932363.098 96123.145 86710.153 1842049.349 105893.132 109591.54 132003.239 1813761.845 62218.16 12846.333 3810931.623 232655.644 88270.462 146630.728 145330.12 244867.888 158027.359 2137310.231 153690.254 365478.314 854501.366 2245604.175 181312.367 1930511.856 1096451.353 42229.759 136085.114 120092.542 158055.086 330890.362 921128.668 51672.799 858485.441 235820.707 38285.129 192855.727 421809.261 283131.403 58879.673 100263.673 24688.016 49056.895 26859.587 65574.786 34762.555 38743.894 113101.01 104035.183 106748.992 345436.76 77673.888 76610.657 60005.402 80787.993 51079.548 94317.395 151793.037 53022.707 71368.349 100018.243 37570.65 101599.637 16185.95 915485.474 573171.873 93961.344 155996.232 29097.091 572507.436 878116.238 318710.092 247912.856 210903.419 133894.014 88770.751 133195.839 95059.68 96984.727 101035.035 52604.893 75802.768 2953.522 15255.807 48536.912 1378517.068 627183.674 89661.058 33289.38 73220.645 14624.14 16958.499 25277.395 68631.785 44362.393 15118.611 10179.564 122445.334 56314.856 31183.696 67358.515 87783.038 1685118.675 56298.708 22833.813 49542.084 47956.665 1190919.208 152392.936 67054.627 48261.361 1403746.189 32712.274 215516.033 75512.556 Taurochenodeoxycholic acid 3472.5584 16825.7228 6119.8705 1807.1012 4300.8724 7875.4138 9686.3395 3541.22 24912.5535 9500.1039 10769.8682 3838.9614 4865.5355 1572.6228 2649.7208 3550.4074 5356.2889 5872.3866 14186.8859 6300.7594 8500.3116 17352.9795 3936.9854 6571.7003 11377.2126 4175.3953 7345.6934 2482.7935 7062.8334 6330.5701 16442.3467 17931.3049 35107.2548 5802.0269 23037.0632 17963.0823 9407.6666 18337.0245 4484.2326 4074.0314 2635.685 10711.9461 20568.9968 3304.8183 41783.2057 5402.2962 20614.2684 2434.1792 1898.967 11091.5684 3866.9093 10139.0789 3975.5468 5432.7148 4787.031 12635.4053 12312.931 5059.608 7569.3015 6615.6274 9013.5484 56608.2881 1822.5305 3226.3335 6196.4066 17059.4152 99090.398 3090.7734 14150.7603 8354.0375 43162.9325 5569.4298 21301.6082 16112.4929 274966.4001 7198.1588 15062.134 3383.0567 21178.5834 34783.6821 12842.4897 4754.7267 15887.6638 18093.2778 19995.7021 2679.4703 171001.7045 7514.8934 78695.6735 8066.3673 3632.1087 14659.2421 13817.0858 2741.7116 28783.9869 13118.2124 67843.6619 1957.3234 1910.3528 15073.1898 2141.9668 43640.9401 6740.952 4310.1129 3151.5002 15270.8921 11623.0556 120923.8005 18149.7172 23943.0581 25636.0688 17528.6114 27174.6948 6220.5193 10127.8194 5769.9924 63091.1968 1342.5037 24743.0184 2727.6015 13234.3447 9322.5767 1893.517 18571.0243 18785.7549 31182.0227 9020.7093 3364.9369 1373.8952 69675.0984 4348.7867 42758.3367 45766.1987 5644.9895 4986.2332 4275.0829 20381.9054 13264.5863 9537.5141 14758.4436 1793.3181 26704.9753 1753.4596 628.81 1935.569 6546.0173 60564.6191 7815.9742 2996.6372 2931.6729 3275.6308 12525.9569 1465.695 5387.2063 3014.5796 820.3115 2080.4621 1385.2437 3691.0194 13187.754 10575.7275 1701.2321 4137.1468 7829.8332 37374.1422 3692.6148 2062.0559 19340.6552 2184.334 5504.9679 5363.4037 17012.4422 5820.0711 1941.8413 2003.9289 7492.8797 5229.1075 1729.4078 1985.2546 1847.8098 2151.739 10022.7074 3596.7387 723.7435 46895.3307 35038.7832 5837.1633 69706.9965 5782.8017 4996.2442 2652.3414 24368.1407 19030.3411 13054.648 3398.3308 3069.9506 2300.9967 5294.1008 20977.3237 46327.3544 8923.7899 2388.5563 4194.904 25782.8243 7116.7872 16063.8913 10025.1545 4909.1024 694.5023 2553.8038 6397.1965 17188.7217 713.8371 2445.0343 1470.9125 5476.0514 13608.5879 336.4126 17793.2268 36477.1655 1718.2315 7540.1744 23290.9798 10388.5143 9681.8703 10899.464 12583.3892 14313.2074 773.3521 6414.9258 Glycocholic acid 24947.606 278849.342 29590.551 55343.911 69401.307 89781.966 86104.872 41715.385 114468.49 75534.117 112068.268 31273.268 23384.426 22746.888 14998.776 35202.527 157115.129 46783.203 182630.253 103180.32 38647.77 45431.13 53296.819 128380.826 82546.709 31909.663 48364.594 12278.25 33169.247 91120.327 81246.442 337010.112 214876.044 29556.685 302237.087 160561.386 84999.496 278014.642 60792.002 139282 17818.737 51902.76 148184.771 40334.522 431973.287 37157.854 205645.078 23835.669 22417.276 98656.566 87795.894 54685.212 11771.248 24719.32 90431.55 70972.165 54430.313 85907.715 49614.961 78406.518 96684.783 474120.518 15621.856 26661.216 81078.084 120726.428 609381.064 15621.809 117333.152 99738.944 230583.534 55874.691 309760.361 105087.936 2065649.282 31761.774 92156.676 51092.215 207693.095 227535.226 320472.259 76062.043 243546.882 95154.364 99195.242 40180.544 1087820.315 53680.371 280350.379 36516.601 42292.623 172444.243 62500.712 39458.788 63354.7 71170.597 521165.834 29547.176 9489.991 77803.719 10871.013 699601.755 57390.386 70012.633 24583.357 105003.025 182056.47 909538.196 147839.105 95524.489 220298.4 202521.406 271625.132 33522.637 215021.472 65393.659 527971.896 16351.387 226935.354 26905.293 85242.479 149169.978 32502.684 76395.272 37044.516 94941.064 120667.834 27812.985 22225.975 586374.54 34683.89 142900.855 338344.923 31839.397 59264.737 20843.493 98797.838 292155.827 85515.229 341426.717 50677.101 109108.111 47479.198 7397.449 43059.869 41903.167 570035.328 161686.803 78258.805 40754.045 38494.609 151347.641 30175.403 43236.1 93525.069 32684.138 15404.77 35703.922 30954.476 93047.162 29339.557 55474.076 79725.696 62226.109 235263.621 41238.963 57180.249 194530.038 24941.739 49147.446 54184.434 66548.295 131333.635 90329.714 40013.278 43334.354 88794.61 28008.171 27748.123 23966.48 49100.368 199956.189 53689.087 17876.398 259599.354 176753.04 63857.465 702484.759 34879.374 29855.431 24849.266 65312.737 48996.92 100072.436 11814.33 34691.786 15401.397 28551.622 63099.941 233563.662 67266.778 24036.441 24264.134 118329.58 145273.873 159859.675 70835.292 46337.39 30172.694 46707.973 169089.611 272989.443 21151.212 66886.099 27675.164 83360.976 156872.875 25390.605 100326.628 181107.81 33343.806 117920.442 334615.263 45021.466 208237.35 78302.019 148468.647 68716.684 24757.873 61146.438 Taurodeoxycholic acid 3472.5584 16825.7228 6119.8705 1807.1012 4300.8724 7875.4138 9686.3395 3541.22 24912.5535 9500.1039 10769.8682 3838.9614 4865.5355 1572.6228 2649.7208 3550.4074 5356.2889 5872.3866 14186.8859 6300.7594 8500.3116 17352.9795 3936.9854 6571.7003 11377.2126 4175.3953 7345.6934 2482.7935 7062.8334 6330.5701 16442.3467 17931.3049 35107.2548 5802.0269 23037.0632 17963.0823 9407.6666 18337.0245 4484.2326 4074.0314 2635.685 10711.9461 20568.9968 3304.8183 41783.2057 5402.2962 20614.2684 2434.1792 1898.967 11091.5684 3866.9093 10139.0789 3975.5468 5432.7148 4787.031 12635.4053 12312.931 5059.608 7569.3015 6615.6274 9013.5484 56608.2881 1822.5305 3226.3335 6196.4066 17059.4152 99090.398 3090.7734 14150.7603 8354.0375 43162.9325 5569.4298 21301.6082 16112.4929 274966.4001 7198.1588 15062.134 3383.0567 21178.5834 34783.6821 12842.4897 4754.7267 15887.6638 18093.2778 19995.7021 2679.4703 171001.7045 7514.8934 78695.6735 8066.3673 3632.1087 14659.2421 13817.0858 2741.7116 28783.9869 13118.2124 67843.6619 1957.3234 1910.3528 15073.1898 2141.9668 43640.9401 6740.952 4310.1129 3151.5002 15270.8921 11623.0556 120923.8005 18149.7172 23943.0581 25636.0688 17528.6114 27174.6948 6220.5193 10127.8194 5769.9924 63091.1968 1342.5037 24743.0184 2727.6015 13234.3447 9322.5767 1893.517 18571.0243 18785.7549 31182.0227 9020.7093 3364.9369 1373.8952 69675.0984 4348.7867 42758.3367 45766.1987 5644.9895 4986.2332 4275.0829 20381.9054 13264.5863 9537.5141 14758.4436 1793.3181 26704.9753 1753.4596 628.81 1935.569 6546.0173 60564.6191 7815.9742 2996.6372 2931.6729 3275.6308 12525.9569 1465.695 5387.2063 3014.5796 820.3115 2080.4621 1385.2437 3691.0194 13187.754 10575.7275 1701.2321 4137.1468 7829.8332 37374.1422 3692.6148 2062.0559 19340.6552 2184.334 5504.9679 5363.4037 17012.4422 5820.0711 1941.8413 2003.9289 7492.8797 5229.1075 1729.4078 1985.2546 1847.8098 2151.739 10022.7074 3596.7387 723.7435 46895.3307 35038.7832 5837.1633 69706.9965 5782.8017 4996.2442 2652.3414 24368.1407 19030.3411 13054.648 3398.3308 3069.9506 2300.9967 5294.1008 20977.3237 46327.3544 8923.7899 2388.5563 4194.904 25782.8243 7116.7872 16063.8913 10025.1545 4909.1024 694.5023 2553.8038 6397.1965 17188.7217 713.8371 2445.0343 1470.9125 5476.0514 13608.5879 336.4126 17793.2268 36477.1655 1718.2315 7540.1744 23290.9798 10388.5143 9681.8703 10899.464 12583.3892 14313.2074 773.3521 6414.9258 Glycochenodeoxycholic acid 23983.577 130193.724 59692.943 39676.98 48854.394 65138.638 72042.32 38321.487 116671.148 45619.918 98604.48 61610.374 24371.293 17629.519 16039.57 35698.901 38548.937 18764.379 184969.603 37163.553 49368.386 49819.464 58284.155 84201.539 53870.345 26417.734 71221.153 8815.323 21347.492 59092.756 75019.911 157969.057 163560.785 57380.843 205917.666 102863.343 101290.088 159249.564 56755.979 125942.989 28204.726 120924.266 76303.948 54926.61 278002.387 23815.582 367299.31 24633.275 14050.055 121215.08 86514.468 54768.222 9268.483 14032.836 92297.554 90089.473 79598.525 41904.61 44340.09 33121.941 66422.54 329439.204 12845.437 29963.304 59065.276 133701.491 421596.286 20530.719 176910.055 82247.531 198682.408 79130.534 240458.222 87997.11 1093035.246 56237.658 66459.306 57436.978 164142.814 194505.195 184652.678 82772.849 106421.841 66865.253 50870.679 24619.705 851822.01 66739.114 411662.486 79799.893 59914.31 98076.572 55429.411 37583.527 139538.795 64363.722 415994.819 17772.522 7123.747 99173.241 17747.387 199029.866 48852.094 47750.934 44003.578 104829.21 94862.564 670531.074 55296.776 355557.312 158255.578 178785.301 113529.765 37918.721 59642.102 89812.98 341168.73 12304.211 232230.039 23542.237 74521.208 148185.77 28065.273 214993.497 73130.97 173555.461 164339.848 50653.694 13647.01 497814.854 31732.243 66279.005 217022.778 48423.418 53928.869 37955.933 106916.852 108080.06 124448.788 148911.084 56145.351 237703.481 28120.969 16814.793 31516.785 24804.49 198993.135 44123.825 33031.879 21105.499 21423.143 80853.415 22343.859 41921.054 46489.581 14845.853 14425.494 35514.656 28255.469 78288.777 54715.071 42320.708 55530.176 51912.999 260276.827 54696.119 38581.262 184561.645 27851.302 63826.47 80680.258 93827.196 66485.973 25547.226 21284.426 38988.985 61439.368 18411.007 38736.98 7128.311 42100.338 81281.393 36346.314 11903.414 160019.14 135455.508 33026.827 211693.844 35809.541 27098.04 24643.691 94332.998 104233.36 84557.5 16779.622 69621.822 31835.337 50972.404 101894.601 238975.308 95517.393 32812.079 34269.961 101435.015 117084.002 99866.171 36457.99 36765.254 19230.625 38392.731 119386.258 211342.602 13432.97 42690.253 19481.338 72798.676 177083.396 25372.282 92317.252 108826.746 36936.061 108309.477 196803.325 89641.926 73996.918 50459.616 121032.102 35736.911 11638.021 36990.854 Cholic acid 3116.6723 9572.6621 11461.6377 6841.957 4098.2642 7962.0889 4831.3298 22976.1843 4635.4788 8571.8687 59506.8765 28796.0865 1539.2958 9865.15 3889.9305 30632.3982 21990.565 5643.482 9697.6544 6836.4777 11986.5372 1140.5389 114054.4259 5225.9285 1529.2852 6998.0532 2265.4165 13100.0376 6436.5766 45724.574 5503.5162 4049.065 16899.1 3931.4046 71820.6851 6231.5788 18741.7133 40514.3675 8552.7648 3297.2233 5645.8598 10856.0483 3420.7274 229.9454 334223.8439 7672.1332 201043.2428 21750.1437 15832.9722 110404.8168 36987.3214 6215.8781 7220.099 3247.0064 85912.3956 50911.2556 14068.6057 11114.2745 7104.0508 6264.8408 11033.5862 6248.1014 6401.6943 3492.8464 9099.9292 5434.6927 245317.4122 2502.5789 24553.7001 1387.7804 8163.4842 8138.3208 240.7857 2608.4297 47802.7652 1961.259 72358.1207 15124.9873 4367.1778 9319.6745 33461.9385 151478.8583 4875.8056 11989.8586 19525.7438 70080.1973 134076.5978 8822.2335 10573.7541 15381.4157 9536.629 43615.0745 5660.5447 8995.1087 22180.0343 6368.267 27237.543 3895.4309 2357.5366 11564.1255 491.869 10736.2388 713.5913 11559.1006 7040.7484 12984.0305 2654.1478 16797.5975 10001.6515 6940.7642 8592.7827 32546.4528 64640.5474 4246.3646 14821.7588 54971.8598 8022.4778 3375.5652 14123.33 6129.7743 35399.1844 17298.6174 20982.7853 6533.6546 14010.8137 30633.395 43396.1538 16839.8695 63795.3177 98749.2625 2862.0159 26919.5477 8372.6484 4536.7922 6966.7231 7436.6097 112611.0934 24403.7093 5220.1695 8222.8736 3392.318 18303.8431 2893.6454 919.2209 4468.4531 5396.6338 2777.2105 7628.884 3960.8745 2615.0284 2652.529 3536.2263 6385.0694 91110.0341 9100.8748 75621.3314 1759.9448 2546.9517 3923.4934 22733.7038 13799.3394 914.2662 2729.8434 1219.357 37197.4614 6237.3105 17030.2142 3593.6505 20189.7557 6652.2424 3391.9466 4519.339 7897.3503 15317.3576 55950.5732 540.3628 4023.0245 11386.5559 41843.6118 2084.7352 131250.5416 9700.248 24939.7939 6456.7694 1833.1421 6334.7121 47047.3483 4296.8837 3529.7399 1474.997 14223.7704 7532.5696 61339.8668 32858.3636 854.5131 14876.0677 38976.6802 6326.6886 25900.7357 146238.0481 52556.6156 66732.6847 5734.6061 4318.7955 6523.4676 14169.3358 91639.6094 1799.4943 3685.9301 2364.4868 8096.5158 5470.3705 6855.0599 3166.3508 34337.3212 19567.0571 9507.8902 7226.2566 9421.9334 24812.5911 20928.8868 15728.4725 44041.4487 171146.0651 25578.0915 29160.0374 2719.0108 1551.676 13029.0713 179144.7705 L-Lactate 953746.1 707681.5 1200997.6 911981.5 766638.9 1247686.9 1134746 1252788.4 933336.2 1195397.6 1390435.4 1047106.1 1293528.4 1432313.1 1522037.4 1378237.8 1292926 1018395.9 1447042.9 1656389.2 1731781.4 1397187.7 1279599.4 1599014.2 1125925.9 1747014.6 1704044.4 1432619.7 1302080.8 1457269.9 1670115 1902338.5 1462837.6 1525207 1115159.5 1340437.8 1463483.9 1115261.3 1412974.4 1693942.4 2167637.4 1691402.8 1964960.7 1143198.9 1798723.7 1169048.1 1568354.4 1219761.1 2189995.1 1706049.8 1272786 1438977.4 1760652 1545263.7 1366489.3 1615059.5 1669785.5 2144936.3 1492470.3 2147221.9 1212570.9 1632958 1841407.8 1675043.6 1631997.5 1840912.1 1220921.4 1144658.6 1278160.9 1192104.6 1373870.3 1235523 1506371.8 3177958 2707409.7 2228836.8 4931338.8 2688778.5 2741368.7 2345948.9 2024796.9 2232278.2 2174598.2 2461973.7 1911283.5 2540668.3 2133644 2362702.5 2563572.9 1319505.7 2331217.5 2503149.8 1842781.5 1972790 2999169.5 2421789.4 2385398 2415730.5 2695009 1795826.5 1656997.5 1749403.7 1782400.5 1687848.4 2053199.7 1424446.6 1701578.6 1857975.1 1918429.8 2303249.9 2100460.6 1483722.2 1316846.2 1268347.3 2051790.7 1759846.1 1613034.3 1466749.1 2187886.1 1425821.6 1036505.3 1740831 1631293.9 956688.4 925132.8 822718.5 1164592.5 1809490.2 1860521.1 2000065.7 1507851.7 1800505.7 2139485.9 1784447.5 1700094.2 1773850.8 2151611.7 1872596.5 1723158.9 1774247.8 2015920.1 1867917.7 2002346.3 422171.1 654575.8 810826.5 1073561.1 920394.6 1287888.8 1064937.3 1625126.1 1655219.8 2377532.8 1387492.1 1617384.8 1634697.4 1503674.9 1420725.7 1005725.2 1543499.2 1627499.2 1211748.2 1165774.3 1654852.9 2041096.1 1566340.1 1922418.8 1359813.4 1720717.3 2024283.2 1308104.9 1793113.6 622154 882661.9 199160.9 932631.1 1034568 999820.5 1101306.3 1253343.6 1487933.4 1602229.5 1753741.5 1534595.4 1324262.3 1353858.1 1848421.5 1591560.9 1855793.1 1525033.3 1025360.4 1698798.2 1132022.9 1347229.8 1095381.1 1361965.5 1193116 1343495.4 1278405.7 1861396.9 1267736.3 718639.4 1156147.6 558362.4 666805.1 864583.5 209745.5 632141.9 338231.6 587291.8 488380.4 664690.1 470895.2 773612.6 1048949.4 1174182.3 1119283.1 1184792.8 1220778.8 1344570.1 991445.8 1555653.1 1407606.8 2168437.5 1232683.1 1601496.2 1508857.8 1823437.7 1725925.9 951565.6 Pyruvate 25334.739 5308.064 27525.14 22901.019 17407.385 8971.346 15691.234 21558.929 26541.376 16344.238 40444.233 12734.156 10805.949 23557.123 32457.119 43594.312 49688.985 11704.283 13824.543 41462.981 28362.72 21061.344 30612.26 34424.349 20426.152 16188.605 44654.838 26813.447 16371.252 44521.154 12258.013 25716.978 11392.034 11557.383 27012.732 26636.442 35013.593 13857.81 38454.396 34059.453 70761.018 8680.132 48606.412 44462.718 33846.204 12599.214 38596.659 18756.742 37663.38 31848.498 24010.888 8499.916 53144.625 18585.196 53276.782 26733.661 43321.206 52376.288 49945.203 76294.551 18428.299 28615.085 18614.865 25677.174 34355.792 33165.008 10434.696 38854.235 46717.972 36290.646 49951.692 31110.419 31851.473 84235.068 25532.757 12902.329 113536.29 41312.544 26971.596 68029.012 53545.454 23804.171 45124.145 77628.972 58743.049 14588.622 30919.108 49641.892 48883.598 40222.429 36789.238 23771.956 32191.584 22180.745 65880.686 27138.508 26880.925 24295.692 77805.134 20075.078 32545.167 34898.327 46168.644 14488.046 25629.614 10752.619 37750.533 21673.793 30574.909 37354.69 20499.333 10703.128 10391.624 10048.93 18558.094 12252.558 11644.785 19095.603 39528.682 11790.385 19808.265 78471.203 14834.287 34146.231 34839.81 24435.451 49576.011 43659.532 22774.222 59091.891 42384.793 16275.489 40100.619 60359.514 55136.7 33657.37 36413.19 26395.802 48213.876 32051.026 62022.793 38481.758 25197.321 20000.935 32145.418 31260.014 26891.434 15887.207 31281.776 28383.658 54512.62 54484.065 105598.28 95891.76 68230.003 63584.915 74247.739 56809.872 38523.99 72050.061 65486.287 68015.092 46743.047 61688.948 34774.448 47869.151 60172.853 41721.06 46807.817 99812.247 50272.998 43659.741 39658.43 55824.074 30283.642 49003.494 51356.484 45055.161 68296.897 41126.321 51996.257 63820.97 55209.785 59442.618 49431.148 51855.812 47429.276 37052.885 40594.529 62137.456 48320.514 43729.266 22464.426 29695.175 53347.42 42089.064 61412.344 55206.139 61229.428 111714.907 37667.135 14457.499 28795.96 34602.658 28393.506 35702.913 53689.757 17803.943 23859.304 14441.393 26659.463 45136.976 28309.182 21899.218 35438.201 41635.437 39139.448 44173.351 50435.819 38745.969 37528.913 58086.419 18687.37 101525.871 23584.595 43744.866 69797.701 25020.741 47976.285 30606.1 2-Ketoglutaric acid 9602.35 6492.311 13820.453 14709.567 9471.566 16504.874 7654.467 18896.405 14511.756 13835.972 10201.758 22462.667 19172.344 24279.457 28125.548 19059.835 15735.64 12220.93 15763.938 18176.734 29133.889 3603.164 25567.456 36647.867 20379.668 12439.237 22979.513 31602.484 6785.738 14559.902 25957.058 64017.76 16091.125 19729.74 16284.856 12061.65 34012.23 14940.013 13883.281 10902.963 15559.158 14056.396 10601.605 17270.391 14594.14 7421.02 9915.31 10738.74 37681.313 14587.811 26347.627 6591.384 18952.243 11555.237 23889.704 20623.535 25439.376 25696.764 18595.615 32060.488 6672.405 23580.385 18448.381 30116.198 24416.171 10435.495 14421.861 18411.393 17339.754 15957.905 21764.701 12709.727 17073.295 18203.088 10909.543 1455.588 15445.811 18903.844 21376.787 62794.329 29091.283 19378.008 27816.11 43485.934 14322.362 13821.439 10896.728 33312.534 20956.278 14834.297 48961.729 10278.363 21150.641 18872.7 30192.885 19471.502 12500.307 10349.327 7565.646 21032.056 16233.898 7294.853 3934.219 21204.923 8086.192 7752.04 39029.424 45440.842 16784.206 11891.978 5420.415 23627.292 24844.58 7379.017 14356.775 17815.617 15501.736 18336.396 12933.615 18334.333 29547.556 23350.051 6417.455 16666.296 26183.755 17436.159 45186.383 34705.867 25435.599 27062.886 24380 14101.195 32445.937 24863.096 16751.584 17893.361 25342.786 5811.59 25540.896 8238.415 29228.245 12860.013 10345.747 9202.84 9547.47 12296.632 24267.13 7479.486 17350.213 19484.137 25709.884 31128.525 15365.855 14442.207 36366.933 16306.264 20084.214 14874.739 3389.642 14283.266 1793.342 6929.995 9032.807 19529.752 24911.259 31527.768 14511.056 22105.776 3293.739 7404.399 15814.938 8856.055 5640.859 11277.476 5565.074 9620.872 11657.343 18371.483 17691.706 25727.074 25415.156 13261.436 7821.264 11133.214 35014.725 25014.266 10676.068 15930.005 16583.337 23092.333 8171.021 22315.559 4666.778 2043.697 13674.03 13298.181 23019.659 17969.966 21155.737 37732.844 13590.972 11884.759 13782.838 8698.164 10999.714 9236.355 15038.704 3451.256 6158.658 5915.049 15152.89 9764.377 16763.902 6934.923 18375.135 24259.818 30310.111 20484.226 16500.407 9973.841 12871.009 14905.072 25428.494 19650.832 12424.071 26028.545 9144.223 23055.3 9714.162 27405.654 Deoxycholic acid 12603.0338 913.50794 12276.11312 3016.54259 17647.3115 17248.38846 4047.25245 13924.035 2654.36395 2016.52065 20789.55247 19703.25008 2982.33357 12456.16947 12867.84041 18674.93557 38298.0813 27283.73438 34549.23238 52156.05573 8461.98172 1860.1034 16281.31099 21398.94227 469.347 1533.18376 11403.45725 5287.18207 11419.24255 20067.17863 23731.1068 31806.53181 2471.47844 86.30912 19207.27513 290.9007 293.06799 40711.43918 1131.66186 22791.46336 19486.35588 25056.26346 27392.82097 7886.34512 80919.23025 12762.63024 27152.90689 17832.51902 7392.4839 22435.90114 27283.224 1658.00548 406.00635 35570.59458 18979.64349 862.46876 271.70367 13221.77448 10019.03384 18731.5951 38484.79511 14122.16731 9435.2003 10566.95363 5608.55929 4663.70436 32155.98552 10422.60588 44671.6548 32508.80261 205.48861 14809.10053 13063.23887 34897.37271 11836.68147 16837.24459 95293.61739 349.60896 57396.09387 33981.47761 65350.92609 32816.20773 429.52576 11676.86067 9897.85467 20090.05336 1670.26207 42263.69108 452.34261 41924.12058 317.3009 45244.14872 49152.83142 51527.72771 26781.75767 40216.37083 246.31801 11605.03666 11020.64739 56940.05824 19991.33566 39105.31176 55621.87184 21390.16766 10245.81482 12606.78128 60030.44324 877.16998 1667.46836 350.06336 40594.79508 60585.81399 14410.45869 13928.20718 27331.19754 55962.86131 11152.91594 10035.51927 72614.84311 36452.41041 25390.77263 18064.2676 40177.8086 35436.81052 12647.08188 101859.2024 20976.21111 15950.39684 42068.50326 24097.49553 11375.99336 14224.78445 388.99051 456.51259 4756.51769 522.72506 47319.17712 37430.2466 6775.76056 205.89256 43994.09726 17793.66121 10868.29544 5725.13591 10251.38223 993.15713 14107.02148 1511.59386 30835.40857 4167.06265 1571.00968 547.50766 30311.01956 2690.70814 5407.76959 28663.10914 5570.02694 19017.93876 9729.24484 9479.15163 794.57025 15768.61067 34591.0611 8620.85827 265.60051 7827.84147 25472.74895 13391.97999 23390.19164 8390.18184 1290.12873 6208.62815 4654.36697 21378.06066 18994.43863 5375.65661 10806.63106 11713.19329 68.29602 4348.26948 10369.58892 5066.36761 19255.30678 6267.78545 20620.99207 133.75109 20337.80577 10755.97798 6125.98684 6719.75081 17364.24966 18673.37708 341.01008 30878.90314 25171.80688 16250.94171 18198.57746 35742.10222 10832.63462 2680.52669 19075.19922 10929.32269 3554.11541 14930.82814 2841.21812 29557.9629 33603.19253 8186.16489 5735.1235 5681.77484 16107.52444 11780.78668 4141.86431 22256.91709 4157.10345 8523.66973 1105.2136 7516.68747 4104.95309 22216.05879 15424.20336 8636.51353 27737.99183 90512.1952 16629.99745 30477.88653 11294.82659 13638.76673 18184.40626 51155.51685 Itaconic acid 29694.393 8216.1676 28379.0688 1912.3543 12920.7245 21881.3987 2056.6291 3461.4744 15895.1909 24534.4083 47944.9235 26533.2489 19179.2973 30911.2715 44476.1482 71083.6936 55706.1768 39607.1208 68107.776 67209.1348 57839.0204 75138.9972 69962.3306 58320.884 43605.9575 65804.4778 49634.5179 78978.1978 50146.5568 58868.0097 105497.0795 51305.7016 73851.7458 60086.4182 41262.9931 65578.54 49535.3284 50381.7378 71839.8186 92618.4735 86163.3288 44513.6163 84854.0733 74685.3535 66622.797 35535.9929 93368.3738 47315.2399 53021.6812 83065.2021 91882.3552 44223.6635 55993.9193 44312.3758 89506.0672 53390.5928 39935.1848 75885.835 47734.0177 83509.5097 50432.513 45974.966 28889.4604 65819.3011 42347.7564 71353.7568 50230.891 15061.31 16523.9859 12309.1092 1607.1215 38622.819 37254.0447 2219.7002 35001.5439 28158.2191 29260.8545 34315.2602 4171.0176 56129.4918 31732.4354 55319.8476 20799.4179 34460.4779 28590.502 46701.1426 32889.1804 30010.4245 64166.5979 77657.0596 53290.2491 80672.9187 31108.7422 26137.1699 46429.031 35077.8622 40301.8773 16598.6512 19790.2694 6075.0449 14010.9601 11493.8102 17527.6703 94198.4402 77034.0449 9300.8423 119954.4147 122030.4985 76620.1426 71840.4766 123034.2254 89632.7649 112592.2595 73378.7321 87541.2459 91992.3487 112883.4234 97434.4242 104881.6392 102656.9903 99653.4321 94547.6034 79289.9177 31493.9425 17353.5194 24272.5367 48506.0019 4142.1246 429.1016 42568.6929 20046.1723 20477.779 19589.7133 14365.1427 30285.2981 33708.0462 21791.591 7232.918 1990.6247 1579.1763 10687.5948 2068.4417 4906.3054 6166.5577 11242.2461 54720.7017 46593.5027 37218.3913 63697.0549 57455.7191 74166.8851 69940.0893 1309.5635 63129.8844 60014.4241 70380.0364 58942.4424 55471.7596 2990.8707 17369.5857 17238.3659 1611.6533 15501.5994 18385.4026 1565.4519 2112.4901 16794.6834 14108.2411 21739.076 19782.1049 1543.539 21407.6974 26291.0553 17124.207 11996.041 43059.4419 34555.0537 29799.8215 45059.9211 51359.6202 54397.495 54322.721 41617.9288 40017.0541 54063.9402 57195.6827 68669.1628 50612.8381 957.0843 2346.3954 3064.9201 2247.3922 1387.681 13697.4201 350.9142 71834.8395 22652.4911 33691.2032 21503.0739 38353.5455 12341.0971 11473.0364 7793.6255 16160.8946 12491.4995 29700.7246 36230.6058 29822.4944 8208.928 12533.1781 16702.0963 6561.4259 5837.4107 44426.3125 53499.13 51039.1691 30087.2782 27458.7847 28427.5307 43889.7022 25238.3942 39201.6993 48892.6631 60339.082 28668.5407 46663.4407 44952.7709 46066.8753 34982.027 46619.7843 Oxalic acid 154253.35 108343.68 195634.56 130837.92 103771.85 172983.54 141685.91 187237.28 171883.47 163816.51 182533.4 142976.55 220113.58 182026.59 201790.51 175473.74 181057.79 141769.78 235691.2 201465.87 260681.58 211359.84 217317.76 191869.84 141110.47 210581.41 287439.56 257368.23 173799.92 225743.42 262119.05 260997.12 166638.76 235754.69 183912.16 174960.57 203460.71 185129.34 195774.05 214282.71 355651.66 238068.5 337265.21 179355.77 258347.29 166901.96 167732.17 206820.49 343910.3 277763.17 206976.96 197434.85 312340.35 230090.52 176924.16 235810.1 281799.94 342567.75 250821.41 306463.65 194517.73 266832.91 252079.87 248022.01 235217.73 262812.37 193495.95 166313.07 172260.21 168853.88 179395.65 159027.05 212052.61 429510.91 418364.5 352994.53 734635.22 381364.66 398263.13 296035.92 297797.55 278601.42 426947.48 377198.72 271305.39 397457.12 316804.65 426032.65 356473.23 231603.66 300619.41 320083.45 300019.07 257287.49 427201.2 346703.84 372073.82 366106.28 403715.24 259621.9 238313.18 306032.56 210880.15 285643.88 295391.73 209981.97 328830.65 241090.66 249048.47 359647.16 358086.16 262092.52 190302.5 170609.73 291627.52 256636.49 249574.37 185227.94 362967.25 176207.38 264086.99 192363.58 225253.96 116662.12 134738.7 75172.59 213085.54 298686.88 268302.05 329125.64 227027.18 244114.91 389091.12 327941.66 272031.4 269094.05 281815.62 250248.65 249579.23 248038.84 325474.91 266449.55 304368.17 68116.75 107332.1 140199.72 134619.32 108815.88 188726.26 136073.57 242080.57 202583.06 304118.17 193935.95 227472.09 238188.19 249218.62 221954.3 125517.6 251506.17 261314.77 203767.18 199370.1 255825.2 311006.1 234526.89 234859.39 177190.6 200241.79 303970.33 228207.15 236683.03 109596.93 132801.42 86423.04 139733.43 139041.58 141063.16 151097.96 205332.31 220144.66 242840.21 206388.16 209108.09 196477.09 236242.4 225585.13 249520.5 280886.86 249622.73 138723.99 289684.19 141432.92 221450.19 156900.87 186703.68 180895.73 195378.09 176722.47 287117.38 165182.73 124615.63 192315.24 85170.56 103001.21 109165.05 133815.72 91035.36 46695.14 70913.09 80382.14 87026.65 59712.83 122787.9 176194.94 212694.46 163126.81 165917.32 150254.62 188465.41 139376.92 245081.27 200830.78 358303.25 188453.27 222614.92 223255.32 264990.3 272667.1 158700.3 Malonic acid 27275.6507 69461.9963 34233.6319 20005.3943 20485.6588 32516.569 25885.2612 60191.5798 15553.2882 90770.6665 14785.8435 33751.2205 402522.7053 98307.0518 39120.5051 25889.44 9265.7773 64777.9883 42410.7983 30712.6428 16552.5966 204767.1884 17167.794 52805.4978 52776.1817 44836.0215 42530.2677 290159.6045 31649.5733 32237.7586 17680.8207 24798.7741 123106.4462 15541.8161 70049.0967 188185.3357 24097.1486 57429.1179 22801.1133 16466.1985 51875.7316 51272.0056 11005.8762 113086.7476 13319.4728 41725.5865 2881.6076 12536.6522 20775.4982 15743.0834 26074.196 23550.3437 49527.1612 22564.4113 18171.4418 25208.9333 187205.7478 16354.0196 14141.2824 43658.7871 268988.5616 8844.4189 11551.7909 119351.549 11642.8851 11188.6797 294316.1694 31557.6925 42633.9716 30585.6073 20985.9132 26367.1627 49184.7266 22525.0903 53752.5099 58948.2837 15414.342 70845.1406 189922.019 18694.6208 18783.1565 111528.0849 45727.6646 102008.643 49803.276 25626.1129 15804.6435 7241.1898 68666.3241 31068.7611 57648.3536 40542.112 36198.3598 36506.5678 5612.2536 13649.0717 18600.7188 32513.1702 84215.0478 2601.9795 37339.0228 25495.4734 87646.9685 8857.9237 64212.0288 41360.6004 20032.8098 26518.8954 17811.8049 17951.3323 84135.949 47628.3711 22215.1796 317863.2466 10856.8878 195003.9979 173577.8236 225819.8109 29475.4045 17640.8125 44630.746 241915.5103 39719.7101 532.9168 8190.486 1963.2282 166132.5967 20358.4886 27627.6392 169835.0967 25946.9296 3227.8763 108888.8 20914.5148 9809.1195 35020.6333 21713.1194 2230.8992 38401.9823 45504.9388 42008.2025 12278.1766 114105.0844 52803.4288 21819.6176 184488.5552 33202.484 24345.5462 88393.2736 74809.1254 85373.8171 15123.5761 12624.8165 124001.2873 15213.1202 17756.1453 11436.4935 75313.1402 81738.416 20965.299 17277.981 16961.7938 16679.1305 36623.7331 19339.7742 44846.0777 17064.5866 10382.9124 26104.7696 33098.6486 89606.6326 14414.6288 47762.0706 21459.2294 14078.4712 152346.9337 27778.4942 31509.7608 20473.0696 33828.4498 19322.3781 8938.3093 16274.8434 20415.9853 21799.3297 65457.6859 24871.5687 27009.6678 3832.7043 12348.6681 1794.8582 8434.5391 4365.913 6064.2904 3926.1397 30977.7454 14188.1228 4642.2693 2626.4448 35751.462 9359.1876 37914.2605 33664.4276 55665.2948 12674.2406 15014.8131 3527.8165 16519.3933 120687.4202 20736.0723 11499.7009 2390.2027 114845.9777 17191.2592 41980.2849 51763.3036 20822.038 123054.6643 72613.2378 34197.6254 16460.7749 12011.5028 9252.613 18568.8354 12014.699 18659.2237 25584.0461 4852.1178 11131.3707 15376.4304 Azelaic acid 29771.61 30158.98 52251.7 35696.92 28339.5 54012.95 57510.23 55615.57 62575.1 55555.02 57792.99 48122.22 65912.68 83990.11 58213.85 65710.8 79454.04 65945.1 70354.88 83348.16 90978.38 76940.36 88558.56 102626.21 87237.95 87578.78 87664.86 54302.23 71955.21 100600.81 102847.88 98532.24 94723.72 78749.58 46409.91 23883.95 30597.68 38094.1 25169.46 40582.63 41350.36 38065.39 45882.74 35554.94 43455.67 30445.68 38604.21 27419.96 38978.04 43107.73 31508.21 40911.72 63431.45 44592.5 59898.2 42512.23 52140.09 55596.18 45707.43 62627.35 47961.24 53984.2 19734.46 49848.53 36906.52 52512.23 44194.25 47319.38 50164.15 45069.86 95152.55 78713.58 86247.12 84784.04 89294.34 91687.13 88080.16 101123.49 81260.44 91701.85 92579.39 132039.94 90865.4 95542.08 72475.91 80795.32 87584.39 82433.86 133382.06 124542.24 112576.41 104029.41 127428.72 64352.06 110479.35 98552.4 145702.28 113410.64 127591.45 204438.36 183362.45 148296.58 153805.66 176169.79 164406.14 176195.22 185734.91 184536.58 164000.48 165326.85 165930.32 155934.72 170968.51 148793.13 145021.21 161896.87 174416.4 151822.85 190203.11 171695.68 163393.9 180345.86 168622.56 604576.49 992938.95 1031919.55 669299.85 88794.71 83274.07 83883.55 78429.05 79366.4 24963.03 71219.1 75216.12 59809.48 73860.13 89870.99 71732.96 69061.21 85090.3 818023.63 83243.17 60198.17 60804.84 19818.72 46554.36 160920.28 157275.19 23972.05 40514.95 36154.32 457855.27 43662.25 32150.38 42989.28 54497.96 53752.09 40170.47 38490.61 52845.35 43924.05 21208.7 39488.56 51838.96 49770.25 54789.15 40994.41 28204.28 73005.48 79754.41 69818.74 29875.85 34047.84 28206.26 37090.22 19278.22 53724.23 43104.88 56258.7 40966.7 39075.4 28986.46 33794.29 38487.28 42833.74 40531.79 39127.41 73992.41 62927.77 58006.02 75989.57 78825.18 80587.96 65928.47 54544.99 53788.78 176779.47 103728.14 113161.6 42275.1 34959.23 33641.61 30949.91 19949.4 68393.81 103822.28 38211.66 31209.42 29951.62 11069.21 34492.62 26964.3 25646.6 57500.64 76828 55724.51 34346.08 28656.58 40458.47 62417.11 42778.04 6939.83 51718.5 33024.7 63211.8 58550.98 85743.88 39014.92 46267.13 Lithocholic acid 25282.512 46143.322 43510.603 26093.649 22872.163 78685.651 67154.153 97455.209 55020.755 91915.938 71410.503 62923.743 76390.235 49454.538 72268.619 90583.458 70051.622 66667.828 63105.595 74114.805 93815.005 91868.765 96271.684 78129.651 41764.418 81751.12 79705.36 59148.183 58622.614 114366.029 100188.53 88165.233 84307.671 66205.027 52736.8 33336.407 53704.225 74759.414 51494.17 66542.967 75465.407 75154.592 85199.615 69799.681 30007.448 53634.249 74975.548 41290.914 89701.323 99927.219 56847.89 66482.241 107734.322 105161.652 94623.67 77075.863 93469.923 92385.112 78911.989 91894.995 85850.755 73115.152 78641.095 84814.372 67094.573 113009.372 146386.951 73632.664 82226.753 100612.033 332553.307 337368.084 157435.417 235465.325 161361.171 358885.27 227978.772 199662.901 225572.762 199043.439 236710.811 206722.024 211627.212 238333.644 153764.06 160217.691 168800.347 197374.169 356142.755 23865.401 305766.109 211724.607 303848.921 168242.16 326283.879 200036.295 18285.941 191030.024 285012.52 359180.754 381879.459 399041.744 429601.681 171722.644 223993.027 260240.741 282845.816 220968.267 292391.567 288479.503 294226.643 280712.309 239440.42 259595.036 219521.733 264995.233 311525.496 209286.656 233623.429 251222.405 255828.428 216831.495 238177.771 234843.093 285019.606 597756.96 423545.48 278269.845 170547.45 169068.366 195354.992 165706.807 165980.186 167872.145 121375.532 105183.873 203041.345 181470.043 139894.128 160128.885 134751.276 367018.236 138405.36 6479.311 13068.545 57160.204 15166.337 19621.943 67823.136 25005.021 57041.43 38892.623 184573.766 65774.148 52052.276 44075.092 87486.533 44136.447 68066.19 64561.351 86556.313 91480.546 37434.381 117462.048 108536.909 87127.166 89888.335 78980.394 72872.251 114402.467 141942.136 134641.783 18552.195 13362.428 9822.489 12364.712 27940.64 16598.867 33435.627 31448.239 68864.995 44726.672 67744.352 75110.553 97504.761 58668.515 3792.897 44301.496 7766.874 171337.426 143316.003 221577.287 231679.645 234011.359 177007.284 55841.384 159959.532 436586.475 351644.005 322097.909 67723.583 10141.608 123501.792 54902.172 36284.188 190285.003 257046.754 31013.754 1644.718 23478.759 3464.167 87465.101 9016.474 50899.758 149775.283 27203.542 32008.348 64445.951 63568.963 71377.648 35606.248 26330.41 42261.188 68703.55 45438.857 137339.883 64749.818 176227.797 61937.369 71834.405 Sebacic acid 9042.973 12166.279 9810.161 7964.607 6883.503 10907.087 10528.388 12828.326 9323.807 11194.605 12438.781 13013.333 15397.248 13058.908 12477.81 9349.769 13301.499 10832.125 9923.521 15532.776 14704.123 13542.587 16955.071 19508.555 12033.213 16152.89 17569.45 18592.005 12823.943 16210.375 17581.695 15834.802 21652.308 10840.658 14503.268 12721.637 17484.196 12589.183 13825.907 15152.737 15649.45 20976.1 16638.35 16594.314 15988.657 10110.051 13685.6 12157.89 16464.128 17139.687 18490.602 15491.957 18781.437 20779.88 22236.267 19163.343 19280.491 18426.934 15771.388 9023.662 14920.229 15095.532 16810.115 23145.876 15479.498 22275.036 30279.425 20063.245 18171.12 14890.293 27552.18 27917.834 18755.762 24213.319 30829.904 27678.903 37294.407 34638.36 28547.201 25074.778 25173.182 35594.384 30683.486 28334.399 20322.11 25801.839 24071.792 28623.749 41320.979 17129.154 54247.849 33053.199 35396.112 17925.747 42683.39 37637.859 23192.431 16796.779 13579.88 14437.329 19126.755 22439.363 17486.813 28105.828 18892.408 21355.502 28307.222 20799.642 21198.068 26448.35 20421.597 24280.468 30108.693 16302.803 19774.589 26968.119 29373.522 29293.933 26130.35 25530.644 23120.953 30278.838 20962.542 59264.272 34342.835 83119.931 57047.477 18704.85 26659.933 26980.35 21448.46 32149.507 29400.889 21692.366 20654 19734.741 22826.061 20717.56 27485.133 22316.493 25707.421 63303.538 17710.142 12644.318 10958.356 12487.434 7990.909 41531.078 42013.301 12442.268 8646.13 16153.298 31293.406 17779.38 12827.827 17267.882 20241.077 19031.185 9952.41 12742.31 12413.319 12107.467 7608.948 10479.744 19398.645 13407.435 12543.513 12745.088 11430.121 19789.219 18168.7 13859.813 4511.838 6255.255 3728.931 5363.778 6485.54 5022.155 4880.932 8945.098 10238.941 9460.361 8674.727 9846.468 10153.799 11185.167 10821.964 8309.089 19212.588 7843.283 12757.465 28548.675 22692.261 24903.816 20693.222 31399.105 20644.024 26995.582 39264.678 34208.566 18931.885 5287.77 12189.361 9350.16 8773.381 20613.239 34597.481 5692.159 6207.312 5746.22 6739.648 11457.241 4730.779 8567.342 18651.645 11597.784 9255.416 13314.622 8645.887 13404.9 11189.132 8352.128 10386.552 17431.686 8466.36 16177.048 15970.022 29225.128 12314.807 15934.892 Isocitric acid 618269.176 825805.154 709668.957 767767.599 972286.192 851930.462 914994.537 987379.841 742174.85 831626.092 245406.473 1743152.296 1774125.242 2334304.066 1778422.225 571008.723 442331.791 1452007.832 971870.025 612723.393 574811.008 416329.965 414578.492 563962.345 709027.837 1333308.688 1150149.587 2817644.84 927871.183 348966.958 1152497.31 2222496.65 573922.796 1258272.354 1276491.906 323063.563 493539.095 606971.954 221888.148 90481.265 202923.423 1036495.528 339069.879 500589.693 160858.251 238118.37 85196.301 182484.062 2621350.962 299608.616 1704061.588 648722.311 390864.49 616615.248 377958.169 1159073.143 580750.803 568359.108 1321212.767 496480.218 17650.438 302885.408 1678644.823 502685.61 789068.871 870991.948 1002925.953 1460453.261 630806.761 725535.269 1816679.513 1822119.95 2299022.717 2208380.518 3769105.833 3472326.466 1919938.106 4176354.383 4291033.849 3600737.719 3006371.131 5997698.707 4399208.354 3975911.882 3183692.784 3183017.985 1860546.985 2114138.585 2088078.622 1069726.456 1922120.37 3384039.956 1791576.73 5257116.306 2961121.673 1513382.319 721273.847 9769046.045 1586366.219 391746.748 541505.043 286856.15 605082.998 2816353.452 3603061.656 1584.913 5959911.801 2475229.671 1891266.703 2618475.065 1732297.355 1357704.038 3073064.118 2249806.582 2353885.869 300179.978 2995106.885 1111176.821 828560.022 1596758.559 1287469.598 954767.424 1490663.531 1222420.63 204187.162 78514.651 6371730.692 1367949.513 1349544.964 1896021.248 1341788.733 2526066.241 2412021.236 2356002.345 2465784.785 3468412.036 4768828.2 1768036.558 3149444.665 4424889.972 3468042.826 475220.001 1382978.2 460851.428 613732.654 1700539.921 1565717.524 360014.957 2058710.965 988418.727 511157.001 1382063.845 2567683.947 2260500.18 948785.51 1030568.835 208375.247 756900.213 420369.446 715803.163 383181.072 403227.774 894219.221 1082903.124 1115794.217 2116592.823 658358.955 776067.928 629636.167 1028129.881 728613.955 854850.098 396064.975 337880.466 341680.958 468306.301 315324.328 386549.675 179601.411 2503667.854 1463993.933 999559.969 934650.049 384009.314 2027605.211 2248723.55 1596005.736 1216422.072 2027743.187 1221084.192 1040510.875 1214745.917 493873.328 624037.941 677380.663 550397.169 994755.482 26487.74 153856.576 101873.721 920226.196 2126103.313 912561.095 465644.948 696687.424 57871.168 15494.551 232996.733 628290.753 395455.131 181313.298 189372.897 783959.576 524362.645 183993.656 737271.885 675341.321 1081428.616 595340.571 205238.932 677405.58 415233.817 927796.023 1221396.033 741123.254 609978.602 1067695.159 218242.043 176833.073 662866.771 Indoxyl sulfate 111200.18 133999.89 500737.11 66140.41 172117.7 250830.47 230760.67 394617.03 178466.62 376016.19 530829.66 418200.87 171356.32 211565.06 87394.67 287365.35 362606.6 193306.34 86875.82 671958.2 163744.83 105336.28 149387.76 200991.3 63481.65 196412.07 75106.71 484421.54 169120.13 192054.85 641192.73 389182.93 79892.55 146091.19 139346.57 84882.06 148534.59 329173.44 203064.94 409564.92 733656.75 156808.36 470422.96 93625.92 414327.68 193622.48 196634.7 124673.58 40934.8 477975.87 599698.59 92533.49 153970.62 495374.1 247098.5 306620.49 72215.4 490930.24 367487.19 653027.61 190662.39 87697.34 319958.82 212545.4 72376.25 92543.59 110405.71 710070.01 293605.13 156473.32 489667.9 641136.37 555504.02 845331.03 357186.24 325386.49 562113.11 301262.51 449597.32 463919.96 791274.37 718157.82 275414.04 231403.49 385522.76 336846.6 57842.27 1448882.46 120529.62 1342539.7 692954.94 729522.09 1943447.18 618687.72 54603.65 729161.43 917880.39 324057.14 1386071.1 2471665.87 205762.4 473069.14 666805.45 780439.98 756618.32 155709.85 543587.91 228741.71 250840.93 477965.2 346211.48 1003783.66 385905.16 845177.84 370580.98 1444263.67 457289.76 1067866.32 550306.82 752878.81 983309.9 590158.26 663469.28 1022327.76 582023.74 1921847.01 498100.27 373720.56 400015.18 300110.84 475901.61 254535.16 289525.56 216810.12 255414.29 157182.79 380581.68 289531.15 307889.33 286340.75 1046349.22 1294375.66 306102.57 93194.76 225950.97 137329.45 236159.49 70563.43 393001.14 178559.38 129751.75 65434.44 228201.26 64363.25 95507.3 589979.8 115885.64 288876.69 155316.16 187404.98 262670.23 264737.42 323576.61 412190.25 310508.54 317206.92 232909.06 160151.09 254485.62 364264.4 225578.04 61354.02 39095.17 65041.14 68590.92 96909.43 76636.24 92524.06 71312.72 32296.31 57622.93 92189.07 135094.76 120122.09 264695.61 62336.74 91455.45 349835.95 374025.07 383549 652841.79 1021998.53 217766.16 122729.8 707395.97 312357.64 329103.88 840074.59 898729.93 275920.62 273519.6 88849.16 332322.43 225148.91 131391.3 327301.37 770001.97 103181.55 55516.91 55799.71 134806.88 284068.08 37849.41 156735.27 63317.09 143911.03 55719.39 134015.6 86750.28 305026.65 77624.99 123825.37 123604.74 201541.62 96066.39 430085.15 270560.17 684332.76 210515.89 129419.93 Malic acid 35340.891 37909.533 52771.086 29150.751 24890.004 34744.119 28769.46 34034.161 41768.148 114159.106 22887.036 70449.452 75768.163 67098.783 69041.643 32498.425 28740.341 37908.313 46671.638 49573.237 52384.614 36984.086 33713.164 58954.763 48027.812 60596.398 54781.413 104033.315 29235.764 43030.291 72327.803 117332.473 51696.684 43487.416 37158.763 25505.479 49985.86 23818.148 15687.513 17068.643 35493.494 65605.83 33179.704 32114.174 22266.034 19739.639 29122.352 15089.239 93660.9 38143.576 52290.53 35039.804 44014.556 28175.143 43417.58 61007.816 62917.045 51279.273 47580.518 37734.247 15354.543 22358.473 71708.149 51116.561 56479.937 68069.437 65561.829 33004.302 33703.055 58686.572 76753.169 43365.532 56430.709 56888.251 107718.347 76165.624 104435.182 152222.239 98198.429 116127.013 75762.384 141187.338 78460.327 133917.023 85664.541 73381.692 45750.233 70727.759 93357.692 98454.914 67121.991 73821.935 103991.35 110932.818 100502.423 46036.115 192088.799 153338.062 49377.241 52078 39247.199 32590.534 53078.833 130804.766 92650.354 5799.724 85265.366 77368.436 90283.397 146461.844 91028.474 93889.09 57153.952 70562.409 139693.529 34618.532 103953.319 83695.129 49511.952 67195.971 134775.426 48928.618 108485.046 37840.575 31517.884 27955.915 132606.523 38578.246 78083.408 109580.019 57061.113 100481.923 115484.122 45125.57 102531.882 64984.113 94210.199 53009.278 96840.952 141577.567 114798.627 82742.666 66119.971 24249.893 49199.947 31854.812 77108.59 67233.477 68385.657 55583.629 80187.991 69551.488 120097.549 79670.103 86475.748 85877.578 29320.834 55774.845 28429.228 73908.007 65074.316 91254.092 59485.462 119366.173 171132.939 85311.566 120349.126 237441.903 53836.64 347844.342 43331.927 91826.489 49443.865 52662.171 39050.531 80667.139 50417.77 41231.134 27498.741 107167.859 82123.256 65912.045 70686.198 38659.663 93061.552 109150.37 97331.688 79613.076 77935.58 48508.82 54490.114 38865.244 24357.451 91732.436 23674.144 73688.936 61773.258 7618.523 34859.012 11400.294 45800.478 61448.572 32631.094 10561.323 28146.357 13281.648 27066.797 17934.66 56144.227 33341.78 12774.867 17081.458 41726.924 27934.155 30712.76 47219.475 58809.393 44714.144 34251.912 20881.902 25087.544 66618.075 53343.713 66103.752 40888.038 52266.005 82393.782 41783.477 26882.309 23850.438 D-Fructose 83112.19 42270.31 62403.16 64704.58 43952.14 49251.52 48557.38 58959.75 69980.13 50128.57 77438.17 55526.46 76390.92 61482.61 77048.9 68359.99 68153.7 53329.98 84311.92 130105.28 88713.4 105744.79 92144.88 87837.24 62014.46 127638.26 152873.72 140459.26 75471.96 133814.43 144344.05 185671.09 102261.05 124827.54 61485.11 99440.29 94749.97 31645.32 110795.1 169338.91 179482.47 117542.79 186849.24 53110.27 107852.45 88489.4 92718.52 84711.96 125204.05 96268.04 104913.41 99087.65 113151.3 111724.09 57762.72 121257.29 107578.24 171380.16 87338.59 178109.03 83068.39 137469.81 138408.5 167343.23 167217.2 170704.28 116054.69 138850.25 139939.67 157034.99 125925.76 126819.58 218892.98 513751.78 345136.04 178168.13 892341.65 381162.38 512427.82 259025.53 264474.03 292199.68 358261.48 324514.57 275410.44 422666.15 319533.06 361684.68 314605.3 207399.15 271176.79 311822.04 320872.62 292424.05 317690.8 280991.12 238341.09 269809.65 326399.59 210878.3 173855.94 136536.42 144769.05 209156.8 343937.71 138535.41 233788.12 247525.31 225834.65 395364.38 306684.95 217237.33 156648.32 117734.06 249338.69 193641.18 232302.25 250978.31 351193.05 184928.79 360030.2 225446.62 222930.32 54091.08 67613.73 48909.83 123573.64 37440.7 245433.49 233632.24 129725.57 183140.33 265572.3 232065.11 195548.85 245056.79 221992.19 142619.39 192829.15 265077.42 280923.85 186041.83 268710.66 68562.74 135560.5 123906.97 191512.76 145580.7 231826.33 177828.37 313648.43 209928.39 379537.52 215996.76 225944.86 273329.45 217987.11 222475.09 107126.3 225383.95 231237.25 235645.23 190529.82 236618.76 252269.54 212236.82 291687.02 168221.85 218730.47 268215.67 177609.28 288940.91 141772.1 204567.91 140807.28 192790.56 180960.27 175456.43 242540.62 279689.35 254948.39 288871.12 288448.37 264014.14 264797.32 247345.43 283438.74 326182.76 245760.61 205539.58 139255.81 203295.46 103171.35 148663.2 113377.77 159755.73 140198.6 73426.05 91445.37 242382.12 139280.19 105603 117722.93 42078.58 68841.26 65982.65 95359.54 69253.49 38702.99 95842.12 53686.61 63675.91 59495.97 111662.93 104452.75 197254.7 201920.6 170396.84 226746.55 158721.97 150927.64 291486.74 220663.34 339945.97 229516.06 244255.38 185301.73 223547.39 339928.98 111168.04 Succinic acid 7161.93378 11555.44902 3186.927145 8838.821424 10220.83034 8080.027943 12822.17061 9751.564824 4899.787808 10097.71296 3765.584082 15609.14352 15333.51067 14314.79246 8075.457338 16175.47828 6703.688642 6854.90669 8306.823993 22572.99364 13763.59883 10456.5197 10902.10515 12957.02786 14233.4943 14074.23907 23082.44539 23600.70255 6234.529113 13410.31369 15131.33378 21197.75335 13798.42439 10273.14076 15519.0163 9593.589416 9913.944009 7653.793363 7435.486067 8507.658092 12598.83649 14487.75281 6882.157273 8607.810315 3862.905827 5024.906938 9408.644996 4853.98327 19718.83416 7049.56375 11953.31989 9818.884656 16410.78384 6093.368009 17358.0842 15347.56511 13122.79864 16621.69377 12200.7351 11913.63013 16236.44757 12870.46429 19857.02843 24583.0561 13760.12079 13608.78813 6754.132097 6496.099433 601.4027138 7163.58826 25084.14667 13580.45254 8230.34202 24602.94264 26663.61241 22088.98156 33540.38005 22895.48127 14442.99305 17453.49984 13679.76596 11332.68691 33269.60707 23362.77198 16446.47462 13346.99049 19935.47493 18652.63477 11248.67721 25097.58793 8523.084874 25814.11268 5721.207599 29948.99477 13345.01722 6519.884803 32273.94522 14617.35866 23262.40685 26944.6808 18500.31527 11715.45316 18579.32688 21414.92484 23583.85702 17031.12419 20351.26676 14550.88397 12548.31596 9443.57088 15531.66329 13769.67917 11641.8573 11574.20748 12462.38498 9637.693127 17812.42381 22968.45765 13919.20912 9848.210308 10758.12375 18965.90331 12253.25394 17559.68429 17840.72907 19570.75857 10427.37469 17310.39036 15421.74721 14936.88137 14046.38322 13000.73405 4169.676851 9668.932291 12060.04398 21416.03844 7746.237295 18342.13023 20458.6706 28221.91737 18200.68133 13679.60614 2144.755958 4685.625927 7835.865959 5719.01283 6272.703608 10439.67173 8797.472619 5555.34875 9893.888362 22690.16122 7647.921926 17676.1218 15932.03926 3883.28283 7750.433479 7565.699907 11033.62356 12381.75943 4597.843202 9889.022739 10182.74631 4983.758722 9256.069701 14083.19762 13056.66795 15315.98324 26386.72723 11440.54371 20216.79183 1457.713357 3273.668846 2643.991801 3604.517807 4803.556833 4195.116915 2977.203701 13768.36364 11366.28787 10053.88591 10618.54309 9068.908132 16941.3146 6711.334935 17798.56945 10346.22836 13852.86691 12344.75539 11215.86882 21030.9304 8178.965328 13206.77975 17228.06427 9273.097137 10621.28415 9830.204675 15105.28944 17972.75422 8703.283979 6501.202029 10899.60298 6116.686374 6684.748602 14407.65325 12938.71669 879.5536527 254.3586654 3595.749903 290.3969126 3703.606393 2553.577611 4213.020469 11733.45876 4896.409642 5086.980361 5965.192542 9656.667301 7202.583801 5824.707754 11247.2342 7844.593845 9562.433693 8551.591237 9353.822166 14449.02745 6024.522801 6199.431745 10808.99137 Gluconic acid 17546.631 17960.893 28750.154 26308.08 22789.563 40600.57 20486.158 23248.403 44413.154 24299.51 21590.708 46658.241 33799.915 50049.229 33110.873 14718.083 29009.477 34341.187 29232.529 37242.927 25991.478 33672.604 34831.925 38894.421 21620.757 35259.898 19529.244 31360.994 26665.451 31874.9 31677.305 54030.323 27312.145 33561.694 20670.777 20251.161 34103.957 17825.017 16507.915 21758.153 21212.121 24089.775 24718.613 50896.9 20356.963 27568.687 20273.438 18365.002 53227.397 43944.316 41782.14 20793.233 24523.956 33309.77 28835.157 24847.436 27699.368 26575.402 37527.367 30132.187 8839.978 33500.352 31398.452 37626.019 35927.49 25286.041 13967.811 14484.311 11524.242 17312.29 17229.223 11314.969 21253.054 13770.634 20347.473 28046.221 46051.854 44170.829 17048.965 43375.459 26167.247 51259.314 29128.178 27776.543 24119.423 18138.359 18833.246 21408.551 29342.936 21951.073 17392.323 24573.439 10067.509 35340.704 22801.861 15710.613 14379.311 55023.447 14385.817 11889.266 2359.271 13733.971 13818.931 23221.12 24026.961 6659.99 26247.158 21679.978 21950.765 35026.246 19117.704 19982.608 23105.243 32268.574 16211.875 10055.721 31851.616 24312.064 28440.381 51607.827 19103.207 24770.877 19640.799 21927.568 5290.259 1582.12 30808.521 8231.04 50875.067 14909.792 27025.373 22203.602 25720.24 25193.499 34782.184 29392.578 67475.652 20531.614 18427.11 56166.807 63542.916 13457.88 42906.65 8037.672 8409.52 31079.715 17414.308 11129.418 24388.528 32921.623 46314.372 24225.197 27527.07 12955.294 8424.625 14165.797 10733.556 25118.739 6445.635 9772.92 11264.867 15845.714 17200.535 13111.555 20312.438 23202.112 23102.302 17883.279 12898.977 9771.344 6348.099 14728.203 3776.868 6929.812 3970.614 5614.426 6528.972 6860.486 5172.579 15944.455 20149.782 19450.036 7361.925 19717.997 18888.006 31075.697 30093.026 20976.292 21567.654 13921.953 13708.442 9058.915 7252.087 4842.852 3474.002 17769.498 29130.838 2140.985 11833.683 13939.863 12072.023 3148.481 21048.069 9826.058 13717.923 8588.406 10862.847 10215.725 5897.843 7294.702 10549.779 6727.261 3994.745 9339.379 10782.285 20173.545 21750.585 18092.477 22514.614 13247.888 26338.38 13753.491 3508.823 59846.019 14255.619 14472.201 25483.267 8224.779 14656.021 27109.887 Glucose 89104.04 53938.85 63347.22 55246.56 66890.71 94641.36 61379.68 91097.23 73462.66 88594.27 101420.5 90777.51 99204.71 136814.17 173492.57 104494.84 90085.87 83380.97 182092.2 176105.29 127969.68 128820.1 149139.49 133183.51 81856.24 119528.68 321131.75 193327.16 125986.67 158813.82 198766.19 250658.34 169240.87 187585.24 96340.08 129100.77 124113.66 107243.23 143994.21 220138.98 217867.82 197601.96 248774.99 104285.76 176940.63 104595.17 98732.53 147700.67 282240.19 170940.93 152598.13 155999.33 172906.33 124775.65 127870.82 160796.56 212209.44 318575.13 186768.1 247712.1 95303.69 222549.3 256213.21 220851.92 240541.96 244808.61 162205.96 213647.54 219896.92 249754.27 221975.03 175293.87 246221.42 706810.88 508552.03 242090.73 1339732.2 577280.13 672253.39 458738.28 375970.7 453193.53 561049.89 582894.42 399763.94 543263.61 398039.53 490362.93 567966.89 336268.71 519403.33 498483.49 305100.54 422179.74 548680.11 491804.48 398465.97 400401.51 591539.1 224066.33 272207.68 271678.62 193532.59 339415.41 521796.19 302625.53 443726.9 344485.71 344562.98 562888.78 411582.74 283514.62 188206.78 172331.72 417617.7 326176.2 242076.51 302320.89 475442.79 199246.07 502078.65 285757.16 316177.84 101854.32 104241.89 120450.49 156926.25 116041.42 239956.77 308308.2 197320.35 256031.16 356261.27 299210.53 328781.39 321807.38 319256.11 256248.97 355510.35 309143.61 420619.02 233793.09 370859.52 104842.45 175472.28 222549.59 255138.86 190919.91 348699.16 245949.38 498423.87 334039.87 542651.6 281550.94 406101 340167.29 366336.06 331843.65 146774.17 319245.42 374436.63 261336.67 237744.78 355751.09 405078.24 279472.92 393477.89 223306.72 265019.32 337009.07 273433.42 338155.89 221407.61 256886.33 168894.51 273208.07 237337.83 275636.02 297195.77 399760.32 385873.55 469690.36 424884.58 424588.1 372642.73 357498.83 547474.25 511429.8 329779.57 250466.27 186807.74 381112.82 181343.41 239724.08 156905.9 253567.24 209886.71 157965.35 149759.04 242966.66 168333.06 160144.14 175991.5 63127.47 112945.35 111427.14 108715.93 119809.73 57418.46 130927.02 68789.9 102285.63 74173.49 138542.5 198978.25 220164 243766.21 233806.14 298236.7 247334.38 204512.61 474833.7 312353.63 424963.07 275221.18 320199.26 291765.96 312980.75 501386.83 178801.12 2-hydroxy-2-phenylpropanoic acid 319735.12 344312.87 523050.77 327700.19 286805.75 163057.24 603898.21 351003.13 362183.53 377704.98 450699.84 316951.1 398336.41 531232.21 469152.29 154906.88 366176.98 157904.63 497482.94 346515.48 371482.04 171929.95 595421.99 316675.96 512553.82 484404.03 237920.47 278348.03 254081.47 301424.58 503341.28 380529.57 454913.47 327950.9 633567.41 354577.62 404965.22 351147.02 236326.37 322715.1 200998.17 273490.8 749835.2 330439.68 131954.37 142690.48 782360.39 203965.3 128809 404949.21 290725.46 509739.92 423262.92 406498.65 754219.3 290597.75 409001.5 465035.46 663575.65 997628.7 332074.47 775512.62 648108.75 486573.59 617432.17 441598.31 366424.69 261555.47 198487.04 616455.25 1111087.71 1514190.78 978097.31 1509810.82 1192974.29 1627088.36 1605966.03 1170959.28 989890.86 904281.99 1396644.4 860599.67 1470539.11 955725.26 1328923.95 1357402.76 1362984.52 1564617.53 2182614.18 2316607.31 2040190.03 1520087.82 1841552.17 1264829.83 1899229.03 1900777.8 1723860.93 1170152.55 1593146.31 1692378.63 1545583.79 1304681.49 1395047.48 669772.55 1075950.1 832545.4 1374928.48 792732.23 637817.3 1271451.66 1289584.17 1128315.02 585758.17 938198.52 346300.92 400469.49 878577.41 830438.65 844517.32 1025299.63 592661.07 525201.28 578764.53 1394679.77 2355576.44 1573339 783923.87 1311406.91 1443293.08 961911.97 877228.9 951652.85 950268.39 1183747.58 1503748.96 1332869.5 1187815.43 1660836.52 877256.69 1259184.95 1558636.58 519282.53 1298361.39 86355.87 125100.6 460601.38 181268.44 141588.29 271941.69 239537.42 592624.15 741137.23 756664.72 409633.41 614011.83 724438.72 973702.78 350028.92 386914.59 216602.42 414267.23 240574.63 272651.71 424377.21 518398.02 434372.69 774050.49 371341.49 708598.02 989532.18 650483.75 987303.82 154892.02 138693.12 98201.2 140208.02 171530.8 94270.25 150394.49 188011.92 475729.88 424597 522764.9 199785.23 516057.63 470760.91 353129.08 284258.16 820970.85 1048630.41 429810.02 1539975.43 1144589.27 1342629.11 1162132.76 536806.06 602805.15 1266054.35 974820.84 935216.78 337744.13 130519.37 244572.92 280942.75 193845.17 599682.27 950741.99 192559.14 66309.32 193751.62 197886.34 220167.7 61174.53 451834.58 912569.45 358386.71 141387.92 402042.6 492677.71 625820.04 124939.99 145748.22 208304.39 410015.2 243434.15 431048.65 768226.51 741660.15 395368.29 185857.95 p-Hydroxyphenylpropionic acid 126096.12 89325.88 175085.84 156529.59 93813.34 202530.11 265813.34 109719.79 228446.65 184982.96 234091.9 189281.27 242619.09 105737 205008.36 220713.95 273117.37 242753.89 206382.46 293099.49 207112.47 277441.87 235711.63 398824.02 265632.86 193137.63 199776.03 192473.85 194016.34 276781.51 286968.09 250605.21 257321.79 247871.95 165158.12 96092.54 118031.44 153314.29 133988.38 193978.49 240176.88 190476.29 172749.91 207044.7 195320.67 151528.62 223958.61 151411.61 172660.8 86516.67 206668.66 180390.52 353291.11 94558.87 211715.96 161660.43 361377.36 292712.44 179014.15 305277.78 266655.35 76172.66 231776.1 226738.79 165212.81 270955.36 130761.81 137856.42 211411.84 207251.89 481620.76 440950.91 373946.83 354803.72 386707.41 525407.7 484484.5 596151.43 553955.97 456666.88 464114.28 215819.59 444829.4 381107.92 324762.86 431722.34 470009.11 479734.07 418678.88 525851.96 614693.95 102000.63 623928.29 340371.96 727479.52 547776.37 452240.55 46473.89 519996.46 836506.95 708929.89 602830.24 517656.42 554365.11 467001.58 581909.15 515683.49 355926.99 525357.99 548349.26 493756.4 514518.76 582812.19 620486.5 488083.02 473586.27 552011.08 447735.17 575225.56 270604.04 656800.34 567826.55 461629.73 428798.05 801566.63 790220.43 597249.62 436244.29 552129.31 450544.83 468517.95 362497.22 449825.37 463687.27 525221.8 308036.35 396395.21 700655.68 544220.65 418860.09 705321.23 636193.66 439433.37 30004.46 51008.98 120411.87 91316.67 128684.45 153197.68 186717.85 245989.63 132957.14 374681.13 333818.77 204370.06 284336.22 216703.65 371214.33 198834.04 156729.68 262749.81 292350.06 59344.01 229711.2 270878.7 287185.37 255755.52 184117.93 198013.9 351658.11 261587.73 346912.07 34591.69 46071.51 56477.07 66544.64 62661.92 47353.52 78392.79 142844.75 75474.01 157135.04 162753.72 197616.67 169785.19 210028.83 266173.49 102979.12 461823.48 246321.22 324338.74 371675.25 539487.06 373067.76 331275.25 256443.6 157458.91 911672.12 494166.65 508187.2 121819.81 49684.97 110318.17 69622.23 70612.64 326453.44 368442.33 97135.77 34777.08 46537.72 50572.47 176615.81 27268.11 108912.14 178093.86 92678.84 71659.32 173741.32 39951.34 137800.51 44601.21 49714.02 125988.77 262727.62 132089.57 246066.65 235642.57 326522.12 101593.84 231731.79 3-Hydroxyphenylpropionic acid 319735.12 344312.87 523050.77 327700.19 286805.75 163057.24 603898.21 351003.13 362183.53 377704.98 450699.84 316951.1 398336.41 531232.21 469152.29 154906.88 366176.98 157904.63 497482.94 346515.48 371482.04 171929.95 595421.99 316675.96 512553.82 484404.03 237920.47 278348.03 254081.47 301424.58 503341.28 380529.57 454913.47 327950.9 633567.41 354577.62 404965.22 351147.02 236326.37 322715.1 200998.17 273490.8 749835.2 330439.68 131954.37 142690.48 782360.39 203965.3 128809 404949.21 290725.46 509739.92 423262.92 406498.65 754219.3 290597.75 409001.5 465035.46 663575.65 997628.7 332074.47 775512.62 648108.75 486573.59 617432.17 441598.31 366424.69 261555.47 198487.04 616455.25 1111087.71 1514190.78 978097.31 1509810.82 1192974.29 1627088.36 1605966.03 1170959.28 989890.86 904281.99 1396644.4 860599.67 1470539.11 955725.26 1328923.95 1357402.76 1362984.52 1564617.53 2182614.18 2316607.31 2040190.03 1520087.82 1841552.17 1264829.83 1899229.03 1900777.8 1723860.93 1170152.55 1593146.31 1692378.63 1545583.79 1304681.49 1395047.48 669772.55 1075950.1 832545.4 1374928.48 792732.23 637817.3 1271451.66 1289584.17 1128315.02 585758.17 938198.52 346300.92 400469.49 878577.41 830438.65 844517.32 1025299.63 592661.07 525201.28 578764.53 1394679.77 2355576.44 1573339 783923.87 1311406.91 1443293.08 961911.97 877228.9 951652.85 950268.39 1183747.58 1503748.96 1332869.5 1187815.43 1660836.52 877256.69 1259184.95 1558636.58 519282.53 1298361.39 86355.87 125100.6 460601.38 181268.44 141588.29 271941.69 239537.42 592624.15 741137.23 756664.72 409633.41 614011.83 724438.72 973702.78 350028.92 386914.59 216602.42 414267.23 240574.63 272651.71 424377.21 518398.02 434372.69 774050.49 371341.49 708598.02 989532.18 650483.75 987303.82 154892.02 138693.12 98201.2 140208.02 171530.8 94270.25 150394.49 188011.92 475729.88 424597 522764.9 199785.23 516057.63 470760.91 353129.08 284258.16 820970.85 1048630.41 429810.02 1539975.43 1144589.27 1342629.11 1162132.76 536806.06 602805.15 1266054.35 974820.84 935216.78 337744.13 130519.37 244572.92 280942.75 193845.17 599682.27 950741.99 192559.14 66309.32 193751.62 197886.34 220167.7 61174.53 451834.58 912569.45 358386.71 141387.92 402042.6 492677.71 625820.04 124939.99 145748.22 208304.39 410015.2 243434.15 431048.65 768226.51 741660.15 395368.29 185857.95 Oxaloacetic acid 4164.527986 3931.23564 4393.910547 4380.6517 2515.656592 6708.022304 2024.779374 4257.472022 6055.085945 9588.548098 5788.172916 7113.334131 6671.283596 9865.615777 11416.64432 2650.260985 252.7098208 2223.497639 1604.215091 2276.455809 5463.188348 3445.837224 5829.315714 4221.736922 3429.145666 6738.916492 4363.662064 6223.885876 4873.123598 761.081375 4254.84104 2965.564343 296.6065697 5094.238481 1418.243144 5304.320536 1714.656957 3316.275947 484.6510361 2221.278458 4036.036889 1113.062823 3782.20859 5588.552363 1806.67175 5693.50454 508.6476074 4410.101109 7888.739849 6686.588721 10231.57159 4576.739036 5691.684839 1045.563006 2664.329639 3118.679929 2527.58519 4643.533727 5341.976873 3937.163462 1600.60308 3708.52051 4756.042042 2093.280326 6617.204609 7895.23798 8466.576984 16010.74958 10957.07046 12422.46792 6086.293238 6142.420004 19276.99327 21685.57851 23834.51583 21198.22439 22236.67619 30374.22835 33065.17679 26172.73946 14005.13217 40330.8593 21448.67283 39002.31948 12971.8935 17590.1636 7994.285133 11843.76671 24455.5387 12243.1602 8882.484584 15781.45449 4355.526863 29151.2523 5697.698128 13433.24436 13159.00435 48404.56431 23358.2364 18451.52772 3389.041989 9071.78073 14132.52769 37954.11713 25226.6935 39086.42987 26031.61456 11095.90258 36339.97555 8144.239572 13740.70241 17658.92197 22793.32202 22175.17888 17853.93643 21248.88842 11692.80456 14377.1917 13276.94325 14972.74201 10659.62909 5096.678985 4310.319607 6371.178035 3255.735945 42806.00524 23633.24615 23225.04002 17398.20459 18562.34656 36036.50711 26008.99682 30831.71272 19347.3383 28990.92815 19321.39458 18634.44992 14528.57326 24342.52786 31968.73884 4598.883876 17081.35728 5786.730438 7455.89836 6834.892167 8215.352485 7445.4816 13211.21121 20240.33204 9898.153261 13974.74632 20715.60415 12655.93545 6809.461656 10037.32456 1120.238701 8324.487919 1606.980623 9533.678452 13523.59365 6344.842427 6883.774327 14848.72752 16433.48391 18441.89173 5172.785264 5998.400337 9271.209492 13419.63383 8745.234502 19106.65359 5595.942739 6431.141725 3710.087806 5665.948307 4847.975748 6038.883002 4162.584983 19289.48449 15162.81154 6582.093232 6583.674263 6106.990278 22056.34592 10873.13483 12003.91681 15107.0256 14311.58566 1675.205124 14837.59703 4182.49044 5024.782217 7399.849049 5040.62105 9313.656314 13461.68782 3835.410917 3135.972763 4370.163649 8693.962673 15086.4363 8756.797912 4420.857425 11181.92817 10700.73212 4580.081859 4985.821024 4685.418125 4922.9075 6041.784493 4936.732343 6067.634895 5481.03685 11462.35852 8267.350964 11687.39717 11497.96966 8446.034112 6042.22596 7093.989811 6671.542199 12488.11324 16591.77512 7455.860942 5729.708147 15020.46679 3186.189214 3728.20002 12065.08834 Docosahexaenoic acid 15558.971 19283.332 34364.755 28390.343 11865.236 28822.412 25707.685 46162.068 27409.237 32836.665 32231.713 23349.844 61026.831 33973.569 47385.309 39109.361 35364.217 49708.21 40637.791 31669.901 25933.291 53050.531 48021.469 90297.851 47198.714 68056.26 43129.544 38852.145 33145.653 49997.909 43569.405 28326.805 80855.398 62504.722 48881.889 41646.628 51847.697 37750.737 29876.668 67873.319 61177.284 44260.087 64167.83 89102.658 24193.767 54219.982 43298.903 24918.453 53539.36 32843.3 50242.243 55469.738 85196.208 56826.866 73692.98 112001.2 55057.874 84469.587 65212.115 102506.508 60226.728 21636.704 41039.908 51405.905 28136.363 58626.488 107054.139 37671.276 41724.977 39888.165 143131.122 115111.695 104179.313 91774.91 110154.974 159758.958 102573.33 188299.847 167151.191 147546.446 130622.302 111664.025 104303.775 148506.03 74443.258 104121.96 86138.633 125617.362 164462.788 317635.762 184929.328 177023.092 155100.509 62335.879 88914.176 122797.002 114685.812 100210.694 120857.101 125139.718 114289.14 243671.604 219214.341 81937.753 88709.834 63833.475 151719.672 121281.663 121078.094 116203.527 259086.841 92764.362 138744.969 133153.204 116958.283 111182.705 198457.372 170528.701 110862.045 109134.194 101430.306 163175.751 119189.535 132167.165 162882.863 212876.718 202033.446 68449.105 83984.632 123147.304 64015.543 57775.011 91252.653 103875.376 72824.479 114286.719 83537.904 57768.257 81379.949 84217.467 101772.547 115396.381 39547.778 2240.675 3838.102 31716.226 11476.243 10216.087 16632.154 25100.655 95013.124 42738.711 75136.962 47924.583 27085.809 34702.725 39379.195 38397.477 45318.057 24961.422 46873.852 41402.181 17714.853 40845.879 21538.537 61856.313 39191.996 17487.899 38908.178 63226.257 83416.834 41908.52 10897.001 11019.674 6652.998 6866.331 18450.453 7410.461 13793.877 16935.308 32814.126 22936.675 38994.915 23519.911 44665.328 37950.33 22117.129 28239.22 64772.278 68697.473 41461.622 90031.018 93999.495 79017.1 71717.742 46360.467 68867.349 199423.109 61879.865 187746.561 32366.794 9940.863 51667.801 29558.881 23731.962 92782.88 112504.265 22338.423 3673.271 9183.507 18473.385 20993.277 9502.913 37478.104 86866.991 32117.206 20496.952 55812.267 20795.636 55804.37 27495.207 30038.088 29292.841 33593.844 25331.643 73170.695 54657.696 130845.364 33733.107 43246.416 Phenyllactic acid 81181.359 36461.802 99324.118 81969.124 48891.644 67768.523 59153.435 95708.588 34234.254 68363.826 150386.229 47228.174 59707.281 30048.106 66740.32 59538.466 37597.468 63969.328 80290.345 63398.123 88455.253 130656.253 52533.425 56315.492 37830.813 99476.366 53136.332 84428.396 90788.612 88820.791 94568.781 69291.54 57564.133 35824.034 65536.211 110238.383 47342.502 77618.95 117119.698 126316.152 125949.949 69805.796 116842.362 87504.334 51968.682 74850.768 127792.844 93332.528 105439.398 48266.341 106477.626 106532.646 89558.859 47992.757 61670.838 65274.685 76654.693 83464.233 46029.21 66057.82 80518.79 74192.734 23529.317 108851.124 49068.924 51021.693 55759.697 36394.558 82114.885 83212.994 59566.873 97556.872 78342.126 52766.482 46339.592 72238.487 29085.282 177877.921 33239.201 102335.744 45625.891 160153.246 127200.744 98877.564 85251.541 97298.447 117898.41 106180.272 127371.436 213440.253 113076.409 46167.454 58317.113 98077.094 30177.232 29939.248 37147.536 91280.768 40453.63 31792.339 143176.632 120479.244 20042.696 185613.426 141125.194 56924.633 75586.216 158701.483 113970.713 102520.738 81260.158 122973.511 125116.891 62370.151 92192.326 112958.56 92480.563 120557.761 168569.438 122733.382 84407.728 105858.454 62240.458 132542.277 98681.883 74874.388 179898.302 88711.597 47016.065 64226.929 89547.152 95468.705 70761.344 68747.263 82818.728 123986.269 170140.981 42106.071 87963.793 117325.198 94096.472 82102.92 92158.297 38538.831 40564.369 78919.765 60281.261 54849.158 68909.689 59179.477 62613.885 52837.347 37402.101 96483.598 72576.066 85747.014 59543.959 64674.939 58334.155 71038.508 26622.819 70165.574 63535.939 25727.805 5809.665 99951.391 84563.552 81015.603 17529.69 84554.656 58759.545 107111.132 50380.178 60973.512 56498.46 39878.005 46000.02 41193.223 57149.307 67141.869 13534.246 18928.262 64492.85 69234.384 90441.349 25049.553 66332.887 63105.566 86863.005 28331.812 59280.66 24535.411 18213.003 38026.367 16206.802 84076.137 100634.341 57785.624 100617.55 58701.926 81559.58 40862.859 88993.546 54581.978 50865.752 53872.068 57061.371 37867.733 30784.043 29064.924 40946.078 47223.272 14758.407 57013.431 37321.362 55279.421 32815.049 30771.993 32371.577 52454.675 48661.266 37853.706 55030.922 137349.94 46950.123 57407.177 63802.896 122059.93 39687.245 51663.977 metabolite_name m/z RT Citrate 191.11 1.05 Taurochenodeoxycholic acid 498.29 12.12 Glycocholic acid 464.3 12.04 Taurodeoxycholic acid 498.29 12.12 Glycochenodeoxycholic acid 448.3 12.56 Cholic acid 407.3 12.54 L-Lactate 89.02 1.04 Pyruvate 87.01 1.03 2-Ketoglutaric acid 145.09 1.03 Deoxycholic acid 391.3 13.3 Itaconic acid 129 6.02 Oxalic acid 89 1.04 Malonic acid 103 2.11 Azelaic acid 187.1 9.44 Lithocholic acid 375.3 12.88 Sebacic acid 201.1 10.82 Isocitric acid 191.02 1.04 Indoxyl sulfate 212 6.38 Malic acid 133.01 1.03 D-Fructose 179.05 1.04 Succinic acid 117.02 1.04 Gluconic acid 195.05 0.85 Glucose 179.05 1.04 2-hydroxy-2-phenylpropanoic acid 165.05 7.09 p-Hydroxyphenylpropionic acid 165.05 6.91 3-Hydroxyphenylpropionic acid 165.05 7.1 Oxaloacetic acid 131 0.67 Docosahexaenoic acid 327.23 14.76 Phenyllactic acid 165.05 8.21